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Geometry for CH3CHClCH3 (Propane, 2-chloro-) 1A' CS

1910171554
InChI=1S/C3H7Cl/c1-3(2)4/h3H,1-2H3 INChIKey=ULYZAYCEDJDHCC-UHFFFAOYSA-N

HSEh1PBE/6-31G**


Point group is Cs
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
Cl1 -0.8856 1.0209 0.0000   -0.6011 -0.6504 1.0209
C2 0.5667 -0.0700 0.0000   0.3847 0.4162 -0.0700
C3 0.5667 -0.9029 1.2659   1.3143 -0.4430 -0.9029
C4 0.5667 -0.9029 -1.2659   -0.5450 1.2754 -0.9029
H5 1.4180 0.6161 0.0000   0.9625 1.0414 0.6161
H6 1.4670 -1.5269 1.2914   1.9441 0.2008 -1.5269
H7 1.4670 -1.5269 -1.2914   0.0473 1.9538 -1.5269
H8 0.5587 -0.2723 2.1576   1.9637 -1.0541 -0.2723
H9 0.5587 -0.2723 -2.1576   -1.2053 1.8747 -0.2723
H10 -0.3079 -1.5589 1.2973   0.7437 -1.1066 -1.5589
H11 -0.3079 -1.5589 -1.2973   -1.1617 0.6544 -1.5589
Atom - Atom Distances (Å)
  Cl1 C2 C3 C4 H5 H6 H7 H8 H9 H10 H11
Cl1 1.8164 2.7227 2.7227 2.3389 3.7005 3.7005 2.9006 2.9006 2.9448 2.9448
C2 1.8164 1.5153 1.5153 1.0934 2.1449 2.1449 2.1671 2.1671 2.1598 2.1598
C3 2.7227 1.5153 2.5318 2.1529 1.0956 2.7820 1.0922 3.4811 1.0937 2.7866
C4 2.7227 1.5153 2.5318 2.1529 2.7820 1.0956 3.4811 1.0922 2.7866 1.0937
H5 2.3389 1.0934 2.1529 2.1529 2.5025 2.5025 2.4866 2.4866 3.0647 3.0647
H6 3.7005 2.1449 1.0956 2.7820 2.5025 2.5828 1.7746 3.7808 1.7752 3.1389
H7 3.7005 2.1449 2.7820 1.0956 2.5025 2.5828 3.7808 1.7746 3.1389 1.7752
H8 2.9006 2.1671 1.0922 3.4811 2.4866 1.7746 3.7808 4.3152 1.7738 3.7871
H9 2.9006 2.1671 3.4811 1.0922 2.4866 3.7808 1.7746 4.3152 3.7871 1.7738
H10 2.9448 2.1598 1.0937 2.7866 3.0647 1.7752 3.1389 1.7738 3.7871 2.5946
H11 2.9448 2.1598 2.7866 1.0937 3.0647 3.1389 1.7752 3.7871 1.7738 2.5946
Maximum atom distance is 4.3152Å between atoms H8 and H9.
picture of Propane, 2-chloro-
Calculated Bond Angles (degrees) (Ignoring Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
Cl1 C2 C3 109.276 Cl1 C2 C4 109.276
C3 C2 C4 113.316
Calculated Bond Angles (degrees) (Involving Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
Cl1 C3 H5 55.871 C2 C3 H6 109.416
C2 C3 H8 111.388 C2 C3 H10 110.707
C2 C4 H7 109.416 C2 C4 H9 111.388
C2 C4 H11 110.707 C3 C2 H5 110.178
C4 C2 H5 110.178 H6 C3 H8 108.416
H6 C3 H10 108.352 H7 C4 H9 108.416
H7 C4 H11 108.352 H8 C3 H10 108.480
H9 C4 H11 108.480

For information on specific bond angles or dihedrals see the geometry comparison page in section Comparisons > Geometry > Bonds, angles.